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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1797993
CHEMBL1797993
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H29ClN4O6

Additional synonyms for CHEMBL1797993 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)[C@@H]4C ...
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Standard InChI InChI=1S/C24H28N4O6.ClH/c1-33-18-8-5-17(6-9-18)26-23(30)21-1 ...
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Standard InChI Key PWHWDRPXGWMWCL-GUTACTQSSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1797993

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
468.5 468.2009 1.22 7 129.23 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 4 0 10 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.13 9.11 3.19 1.48 2 34 0.36

Structural Alerts

There are 5 structural alerts for CHEMBL1797993. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PWHWDRPXGWMWCL-GUTACTQSSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1797993



PubChem 52950995
PubChem: Thomson Pharma 123102497

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/PWHWDRPXGWMWCL-GUTACTQSSA-N spacer
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